CID 134942666

C8H9O2 — CID 134942666

IUPAC—
SMILES[CH]=CC[C@@H](O)c1ccoc1
InChIInChI=1S/C8H9O2/c1-2-3-8(9)7-4-5-10-6-7/h1-2,4-6,8-9H,3H2/t8-/m1/s1
InChIKeyNATIDWOHZRWOIA-MRVPVSSYSA-N
MW137.16 g/mol
LogP1.69
Rot. Bonds3

About CID 134942666

CID 134942666 (PubChem CID 134942666) has the molecular formula C8H9O2 and a molecular weight of 137.16 g/mol.

Molecular Properties

Compound NameCID 134942666
PubChem CID134942666
Molecular FormulaC8H9O2
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name—
SMILES[CH]=CC[C@@H](O)c1ccoc1
InChIInChI=1S/C8H9O2/c1-2-3-8(9)7-4-5-10-6-7/h1-2,4-6,8-9H,3H2/t8-/m1/s1
InChIKeyNATIDWOHZRWOIA-MRVPVSSYSA-N
XLogP1.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134942666?
The IUPAC name of CID 134942666 (CID 134942666) is not available.
What is the SMILES notation for CID 134942666?
The canonical SMILES for CID 134942666 is [CH]=CC[C@@H](O)c1ccoc1.
What is the InChIKey of CID 134942666?
The InChIKey is NATIDWOHZRWOIA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9O2/c1-2-3-8(9)7-4-5-10-6-7/h1-2,4-6,8-9H,3H2/t8-/m1/s1.
What are the key properties of CID 134942666?
CID 134942666 has a molecular weight of 137.16 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134942666 is sourced from PubChem (CID 134942666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).